SCHEMBL9978670

C=CCCCCCC(OC(=O)N1CCCCC1)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C

nearest known ligand 0.48

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	1/20	0.48

▸	CYP3A4	P08684	2/20	0.45

▸	CTSB	P07858	1/20	0.43

▸	PPP3CB	P16298	1/20	0.43

▸	ELANE	P08246	1/20	0.39

▸	KCNH2	Q12809	1/20	0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL9978717	0.93	CYP3A4 (0.47)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978806	0.92	CTSS (0.47)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978810	0.92	CYP3A4 (0.48)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978786	0.92	CTSS (0.48)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978716	0.92	CTSS (0.48)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL7873713	0.89	CTSS (0.46)	CTSSCYP3A4CTSBPPP3CB
SCHEMBL7873712	0.88	CTSS (0.46)	CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL3048024	0.88	CTSS (0.49)	CTSSCYP3A4CTSBPPP3CB
SCHEMBL13222487	0.88	CTSS (0.49)	CTSSCYP3A4CTSBPPP3CB
SCHEMBL3048029	0.88	CTSS (0.49)	CTSSCYP3A4CTSBPPP3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2011150190-A2	HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF	ANACOR PHARMACEUTICALS, INC. (US)	2011-12-01	—	—	WO	disclosed